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    Cefozopran Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Cefozopran hydrochloride, 113981-44-5, Cefozopran (hydrochloride), Cefozopran hcl, 060i5c0grc, Cefozopran monohydrochloride
    Molecular Formula
    C19H18ClN9O5S2
    Molecular Weight
    552.0  g/mol
    InChI Key
    NTJHUKMPVIFDNY-XFDPNJHTSA-N
    FDA UNII
    060I5C0GRC
    Cefozopran Hydrochloride is the hydrochloride salt form of cefozopran, a semi-synthetic, broad-spectrum, fourth-generation cephalosporin with antibacterial activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11-;/t12-,17-;/m1./s1
    2.1.3 InChI Key
    NTJHUKMPVIFDNY-XFDPNJHTSA-N
    2.1.4 Canonical SMILES
    CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-].Cl
    2.1.5 Isomeric SMILES
    CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-].Cl
    2.2 Other Identifiers
    2.2.1 UNII
    060I5C0GRC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Cefozopran Hydrochloride

    2. 113981-44-5

    3. Cefozopran (hydrochloride)

    4. Cefozopran Hcl

    5. 060i5c0grc

    6. Cefozopran Monohydrochloride

    7. Cefozopranhydrochloride

    8. Unii-060i5c0grc

    9. Sce-2787 Hydrochloride

    10. Sce-2787.hcl

    11. Schembl1229838

    12. Schembl9286286

    13. Hy-b0771a

    14. (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride

    15. Mfcd00944908

    16. Akos037648568

    17. Ccg-270009

    18. Cs-3504

    19. Cefozopran Hydrochloride [mart.]

    20. Cefozopran Hydrochloride [who-dd]

    21. Bs-14644

    22. A803043

    23. (-)-1-(((6r,7r)-7-(2-(5-amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1h-imidazo(1,2-b)pyridazin-4-ium Hydroxide Inner Salt, 7(sup 2)-(z)-(o-methyloxime), Hydrochloride

    24. (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-3-(1-imidazo[1,2-b]pyridazin-4-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Hydrochloride

    25. (6r,7r)-7-[[(2z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-(imidazo[1,2-b]pyridazin-4-ium-1-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Hydrochloride

    26. Imidazo(1,2-b)pyridazinium, 1-((7-(((5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, Chloride, (6r-(6alpha,7beta(z)))-

    2.4 Create Date
    2006-10-24
    3 Chemical and Physical Properties
    Molecular Weight 552.0 g/mol
    Molecular Formula C19H18ClN9O5S2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count6
    Exact Mass551.0560847 g/mol
    Monoisotopic Mass551.0560847 g/mol
    Topological Polar Surface Area238 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity960
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2